6-morpholin-4-yl-4,4-diphenylheptan-3-one

C23H29NO2 — CID 10089

💊View drug profile → phenadoxone
IUPAC6-morpholin-4-yl-4,4-diphenylheptan-3-one
SMILESCCC(=O)C(CC(C)N1CCOCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24/h4-13,19H,3,14-18H2,1-2H3
InChIKeyLOXCOAXRHYDLOW-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.06
Rot. Bonds7

About 6-morpholin-4-yl-4,4-diphenylheptan-3-one

6-morpholin-4-yl-4,4-diphenylheptan-3-one (PubChem CID 10089) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 6-morpholin-4-yl-4,4-diphenylheptan-3-one.

Molecular Properties

Compound Name6-morpholin-4-yl-4,4-diphenylheptan-3-one
PubChem CID10089
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name6-morpholin-4-yl-4,4-diphenylheptan-3-one
SMILESCCC(=O)C(CC(C)N1CCOCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24/h4-13,19H,3,14-18H2,1-2H3
InChIKeyLOXCOAXRHYDLOW-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(dimethylamino)-4,4-diphenylheptan-3-one;hydroiodide
CID 171389978
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539
(6R)-6-(methylamino)-4,4-diphenylheptan-3-one
CID 131842164
4-morpholin-4-yl-3,3-diphenylbutan-2-one
CID 23423770
4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one
CID 155041263
[(2S,3R)-2-hydroxy-6-oxo-5,5-diphenyloctan-3-yl]-dimethylazanium
CID 164732578
4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
6-(dimethylamino)-4,4-diphenylheptan-3-one;2-methylprop-2-enoic acid;hydrochloride
CID 122684376
dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium
CID 164732553
4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
3-methyl-4-morpholin-4-yl-2,2-diphenylbutanoic acid;sulfuric acid
CID 138397409
6-oxo-5,5-diphenyloctanoic acid
CID 19981505

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4,4-diphenylheptan-3-one?
The IUPAC name of 6-morpholin-4-yl-4,4-diphenylheptan-3-one (CID 10089) is 6-morpholin-4-yl-4,4-diphenylheptan-3-one.
What is the SMILES notation for 6-morpholin-4-yl-4,4-diphenylheptan-3-one?
The canonical SMILES for 6-morpholin-4-yl-4,4-diphenylheptan-3-one is CCC(=O)C(CC(C)N1CCOCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-morpholin-4-yl-4,4-diphenylheptan-3-one?
The InChIKey is LOXCOAXRHYDLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24/h4-13,19H,3,14-18H2,1-2H3.
What are the key properties of 6-morpholin-4-yl-4,4-diphenylheptan-3-one?
6-morpholin-4-yl-4,4-diphenylheptan-3-one has a molecular weight of 351.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4,4-diphenylheptan-3-one is sourced from PubChem (CID 10089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).